Molecule ID: mol22532
SMILES: O=C(O)COCC(=O)O
InChI: InChI=1S/C4H6O5/c5-3(6)1-9-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.70 | QSARToolbox | 0 » -1 |
| 2.90 | QSARToolbox | 0 » -1 |
| 2.96 | AttenGpKa training set | 0 » -1 |
| 4.03 | QSARToolbox | -1 » -2 |
| 4.03 | QSARToolbox | -1 » -2 |
| 4.19 | AttenGpKa training set | -1 » -2 |
| 4.22 | QSARToolbox | -1 » -2 |